Chemical Compound

coenzyme B12

coenzyme B12 chemical structure
Primary Record

coenzyme B12

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
5462218
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@@H](O3)CO)OP(=O)(O)OC(C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3]
Canonical SMILES
C/C1=C2/[N-]C([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NCC(C)OP(=O)(O)OC2C(O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@H]2CO)[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3]

Names & Synonyms

  • coenzyme B12
  • CID5462218